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Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-isopropoxyphenyl ester
SpectraBase Compound ID 9F0ENnwnAUI
InChI InChI=1S/C19H18BrNO4/c1-13(2)24-14-7-9-15(10-8-14)25-19(23)12-11-18(22)21-17-6-4-3-5-16(17)20/h3-13H,1-2H3,(H,21,22)/b12-11+
InChIKey MHGKFTLESWOHIN-VAWYXSNFSA-N
Mol Weight 404.26 g/mol
Molecular Formula C19H18BrNO4
Exact Mass 403.041921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZBdNiDC4P9
Name Fumaric acid, monoamide, N-(2-bromophenyl)-, 4-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 403.041921060 u
Formula C19H18BrNO4
InChI InChI=1S/C19H18BrNO4/c1-13(2)24-14-7-9-15(10-8-14)25-19(23)12-11-18(22)21-17-6-4-3-5-16(17)20/h3-13H,1-2H3,(H,21,22)/b12-11+
InChIKey MHGKFTLESWOHIN-VAWYXSNFSA-N
Molecular Weight 404.260 g/mol
SMILES C1=C(C=CC(=C1)OC(C)C)OC(=O)\C=C\C(=O)NC1=CC=CC=C1Br